2-[[[2-[bis(fluoranyl)methylsulfanyl]pyridin-3-yl]carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[2-[bis(fluoranyl)methylsulfanyl]pyridin-3-yl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[2-(difluoromethylthio)-3-pyridinyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(difluoromethylthio)nicotinoyl]amino]methyl]-4-nitro-phenolate Formula: C14H10F2N3O4S- MolecularWeight: 354.308706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC(F)F)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SC(F)F)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H11F2N3O4S/c15-14(16)24-13-10(2-1-5-17-13)12(21)18-7-8-6-9(19(22)23)3-4-11(8)20/h1-6,14,20H,7H2,(H,18,21)/p-1